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BF-DPB

CAT: 0926-LPA48660-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-LPA48660-01Size:1 g
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CAS Number
361486-60-4
Synonyms
N, N'-Bis (9,9-dimethyl-9H-fluoren-2-yl) -N, N'-diphenylbenzidine
MDL Number
MFCD20528032
Smiles
CC1 (C2=CC=CC=C2C3=C1C=C (C=C3) N (C4=CC=CC=C4) C5=CC=C (C=C5) C6=CC=C (C=C6) N (C7=CC=CC=C7) C8=CC9=C (C=C8) C1=CC=CC=C1C9 (C) C) C
Molecular Formula
C54H44N2
Molecular Weight
720.96 g/mol
Controlled
No

Chemical Information

BF-Dpb
CAS Number361486-60-4
PubChem CID20603493
IUPAC NameN-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
Molecular FormulaC54H44N2
Molecular Weight720.9
XLogP15
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count56
Formal Charge0
Complexity1170
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC9=C(C=C8)C1=CC=CC=C1C9(C)C)C
InChI
InChI=1S/C54H44N2/c1-53(2)49-21-13-11-19-45(49)47-33-31-43(35-51(47)53)55(39-15-7-5-8-16-39)41-27-23-37(24-28-41)38-25-29-42(30-26-38)56(40-17-9-6-10-18-40)44-32-34-48-46-20-12-14-22-50(46)54(3,4)52(48)36-44/h5-36H,1-4H3
InChIKey
VZYZZKOUCVXTOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BF-Dpb
CAS: 361486-60-4
CID: 20603493
Formula: C54H44N2
MW: 720.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight720.9
XLogP315
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass720.350449412
Monoisotopic Mass720.350449412
Topological Polar Surface Area6.5 Ų
Heavy Atom Count56
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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